Information card for entry 7108629

Structure parameters

• Formula: C16 H15 N S
• Calculated formula: C16 H15 N S
• SMILES: S(c1c2c(n(c1)C)cccc2)c1ccc(cc1)C
• Title of publication: Visible light-induced 3-sulfenylation of N-methylindoles with arylsulfonyl chlorides
• Authors of publication: Min Chen; Zhi-Tang Huang; Qi-Yu Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11686
• a: 11.721 ± 0.002 Å
• b: 9.7355 ± 0.0019 Å
• c: 12.776 ± 0.003 Å
• α: 90°
• β: 112.96 ± 0.03°
• γ: 90°
• Cell volume: 1342.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No